Grundinformationen
- CAS
32828-81-2- Standard-SMILES
COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1- InChIKey
KYWCWBXGRWWINE-UHFFFAOYSA-N- Summenformel
- C21H20N4O3
- Durchschnittliche Molmasse
- 376,4 g/mol
- Monoisotopische Masse
- 376,15354051
Überblick
4-methoxy-N1,N3-bis(3-pyridinylmethyl)benzene-1,3-dicarboxamide is a member of benzamides.
Namen und Bezeichner
- Bevorzugter Name
- Picotamide
- IUPAC
- 4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
- Lokaler Name
- 4-Methoxy-N,N'-bis(3-pyridylmethyl)isophthaldiamid
- Englischer Name
- Picotamide
- Summenformel
- C21H20N4O3
- Molmasse
- 376.41
Namen und Synonyme
picotamide32828-81-24-Methoxy-N,N'-bis(3-pyridinylmethyl)-1,3-benzenedicarboxamide4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamideG-137NSC-304384654G2VCI4QDTXSID40186498RefChem:174171DTXCID501089894-methoxy-N1,N3-bis((pyridin-3-yl)methyl)benzene-1,3-dicarboxamide251-245-7
Weitere Namen anzeigen
g137Picotamide, 10 mM in DMSON,N’-Bis(3-Pyridinylmethyl)-4-Men,n’-bis(3-picolyl)-4-methoxyisophthalamide4-methoxy-n,n’-bis(3-pyridylmethyl)isophthalamide4-methoxy-n,n’-bis(3-pyridylmethyl)-isophthalamidIsophthalamide, 4-methoxy-N,N'-bis(3-pyridylmethyl)-
4-methoxy-N1,N3-bis(pyridin-3-ylmethyl)isophthalamide4-Methoxy-N,N'-bis(3-pyridylmethyl)isophthaldiamidePicotamide monohydrate CRSEINECS 251-245-7Picotamide [INN:BAN]BRN 0499268UNII-654G2VCI4QSR-01000076086
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 93,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 516
Experimentelle und physikochemische Eigenschaften
LogP1.23
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 128 · 128-131℃
- Siedepunkt
- 668.1 · 668.1±55.0 °C(Predicted)
- Dichte
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Soluble in DMSO (up to 40 mg/ml) or in Ethanol (up to 5 mg/ml with warming).
- pka
- 13.31 · 13.31±0.46(Predicted)
- Aggregatzustand
- White solid.
- Farbe
- White
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.
- InChI
- 1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- RTECS-Nr.
- CZ2235500
- Toxizität
- LD50 i.p. in male mice: 1205 mg/kg (Orzalesi, Selleri, 1976)
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Anwendungen
BeschreibungPicotamide is an unique antithrombotic agent which acts by selectively inhibiting thromboxane synthesis and blocking platelet thromboxane receptors without affecting prostaglandin synthesis. It is reported to be useful in the treatment of myocardial infarction, cerebrovascular disorders, pulmonary embolism and atherosclerosis.
VerwendenPicotamide is a dual inhibitor of thromboxane A2 and thromboxane A2 synthase. It is used in aptamers for targeting coagulation factor XIII and there used for treatment of thrombosis.
Anbieter32 Anbieter
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
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